HRID1210404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID944

Nitric Acid

HNO3

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID16028

Tetrabutylammonium

C16H36N+

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(O)cc3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID77283231

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(c2ccc(Cl)c(Cc3ccc(O)c([N+](=O)[O-])c3)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31d83cda8b194fce9503fc8255bff096
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:47].[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:34][O:35][C:36]([CH3:37])=[O:38])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]3)[c:22]([Cl:25])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14].[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[Cl:43][CH:44]([Cl:45])[CH3:46].[OH:39][N+:40]([O-:41])=[O:42]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:34][O:35][C:36]([CH3:37])=[O:38])[O:7][CH:8]([c:19]2[cH:20][c:21]([CH2:26][c:27]3[cH:28][cH:29][c:30]([OH:33])[c:31]([N+:40](=[O:39])[O-:41])[cH:32]3)[c:22]([Cl:25])[cH:23][cH:24]2)[CH:9]([O:15][C:16]([CH3:17])=[O:18])[CH:10]1[O:11][C:12]([CH3:13])=[O:14]